Inconsistencies of Gaussian's "NBO 3.1" Module With Authentic Natural Population Analysis. [PDF]
J Comput ChemErroneous NPA atomic charge values from Gaussian 16's “NBO 3.1” module (red) are replaced by proper {QHg} NPA values (yellow) in rhombohedral Hg13 unit cell model of superconducting mercury. ABSTRACT We provide illustrative examples of the discrepancies between “NBO analysis results” as obtained from Gaussian‐16's proprietary NBO 3.1 module versus the ...
Weinhold F.
europepmc +2 more sources
Superconductivity in nickelate and cuprate superconductors with strong bilayer coupling [PDF]
Physical review B, 2023 The discovery of superconductivity at 80 K under high pressure in La$_3$Ni$_2$O$_7$ presents the groundbreaking confirmation that high-$T_c$ superconductivity is a property of strongly correlated materials beyond cuprates.
Zhen Fan +6 more
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Twisted cuprate van der Waals heterostructures with controlled Josephson coupling [PDF]
Materials Today, 2023 Twisted van der Waals (vdW) heterostructures offer a unique platform for engineering the efficient Josephson coupling between cuprate thin crystals harboring the nodal superconducting order parameter.
M. Martini +12 more
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Probing inhomogeneous cuprate superconductivity by terahertz Josephson echo spectroscopy [PDF]
Nature Physics, 2023 Inhomogeneities crucially influence the properties of quantum materials, yet methods that can measure them remain limited and can access only a fraction of relevant observables.
A. Liu +11 more
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Anomalously strong near-neighbor attraction in doped 1D cuprate chains [PDF]
Science, 2021 Description Exploring cuprate chains Superconductivity in cuprates takes place in their two-dimensional (2D) layers but solving even the simplest model of interacting fermions in 2D is a challenge.
Zhuoyu Chen +9 more
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Systematic electronic structure in the cuprate parent state from quantum many-body simulations [PDF]
Science, 2021 The quantitative description of correlated electron materials remains a modern computational challenge. We demonstrate a numerical strategy to simulate correlated materials at the fully ab initio level beyond the solution of effective low-energy models ...
Z. Cui +3 more
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Josephson effects in twisted cuprate bilayers [PDF]
Physical review B, 2021 Twisted bilayers of high-Tc cuprate superconductors have been argued to form topological phases with spontaneously broken time reversal symmetry T for certain twist angles.
T. Tummuru, S. Plugge, M. Franz
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Magnetic and f-electron effects in LaNiO2 and NdNiO2 nickelates with cuprate-like $$3{d}_{{x}^{2}-{y}^{2}}$$ band [PDF]
Communications Physics, 2021 Recent discovery of superconductivity in the doped infinite-layer nickelates has renewed interest in understanding the nature of high-temperature superconductivity more generally.
Ruiqi Zhang +7 more
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Charge Correlations in Cuprate Superconductors
Annual Review of Condensed Matter Physics, 2023 High-temperature superconductivity, with transition temperatures up to ≈134 K at ambient pressure, occurs in layered cuprate compounds. The conducting CuO2 planes, which are universally present, are responsible for the superconductivity but also show a ...
S. M. Hayden, J. Tranquada
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The Physics of Pair-Density Waves: Cuprate Superconductors and Beyond [PDF]
Annual Review of Condensed Matter Physics, 2019 We review the physics of pair-density wave (PDW) superconductors. We begin with a macroscopic description that emphasizes order induced by PDW states, such as charge-density wave, and discuss related vestigial states that emerge as a consequence of ...
D. Agterberg +9 more
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